ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009738
RECORD_TITLE: 3-HYDROXYTETRADECANOIC ACID METHYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 3-HYDROXYTETRADECANOIC ACID METHYL ESTER
CH$NAME: METHYL 3-HYDROXYTETRADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₃
CH$EXACT_MASS: 258.21949
CH$SMILES: CCCCCCCCCCCC(O)CC(=O)OC
CH$IUPAC: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14,16H,3-13H2,1-2H3
CH$LINK: INCHIKEY UOZZAMWODZQSOA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50971039

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS I-C4H10

PK$SPLASH: splash10-0a4i-1290000000-e8e2ef9d5ee771017ded
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  73 2.3 23
  75 6.5 65
  77 1.08 11
  79 1.13 11
  82 3.16 32
  83 2.49 25
  84 1.82 18
  85 2.05 21
  95 1.4 14
  97 2.83 28
  98 1.04 10
  101 1.17 12
  103 24.58 246
  111 1.96 20
  183 2.24 22
  185 3.4 34
  207 1.13 11
  208 1.22 12
  209 2.13 21
  227 1.56 16
  240 1.19 12
  241 22.23 222
  242 3.44 34
  257 5.97 60
  258 1.56 16
  259 99.99 999
  261 1.92 19
//